| Identification | More | [Name]
3-Methylcyclopentanone | [CAS]
1757-42-2 | [Synonyms]
3-METHYLCYCLOPENTANONE
DL-3-METHYLCYCLOPENTANONE
3-Methyl-1-cyclopentanone
DL-3-METHYLCYCLOPENTANONE,99%
Cyclopentanone,3-methyl-
1-Methyl-3-cyclopentanone
3-Methylcyclopentan-1-one | [EINECS(EC#)]
217-148-9 | [Molecular Formula]
C6H10O | [MDL Number]
MFCD00001416 | [Molecular Weight]
98.14 | [MOL File]
1757-42-2.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR SLIGHTLY YELLOW LIQUID | [Melting point ]
-58℃ | [Boiling point ]
145 °C(lit.)
| [density ]
0.913 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.434(lit.)
| [Fp ]
98 °F
| [storage temp. ]
Flammables area | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly) | [form ]
Liquid | [color ]
Clear slightly yellow | [Water Solubility ]
soluble | [BRN ]
1305074 | [InChI]
1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3 | [InChIKey]
AOKRXIIIYJGNNU-UHFFFAOYSA-N | [SMILES]
CC1CCC(=O)C1 | [LogP]
0.690 (est) | [CAS DataBase Reference]
1757-42-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Cyclopentanone, 3-methyl-(1757-42-2) | [EPA Substance Registry System]
1757-42-2(EPA Substance) |
| Questions And Answer | Back Directory | [Uses]
3-Methylcyclopentanone is a metabolite used for the synthesis of various pharmaceutical derivatives and was found to be a degredation product of Phytosterols. |
| Safety Data | Back Directory | [Risk Statements ]
R10:Flammable. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1224 3/PG 3
| [WGK Germany ]
3
| [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29142900 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR SLIGHTLY YELLOW LIQUID | [Synthesis Reference(s)]
Journal of the American Chemical Society, 110, p. 291, 1988 DOI: 10.1021/ja00209a048
The Journal of Organic Chemistry, 51, p. 537, 1986 DOI: 10.1021/jo00354a027
Tetrahedron Letters, 21, p. 1247, 1980 DOI: 10.1016/S0040-4039(00)71383-9 | [General Description]
3-Methylcyclopentanone is a monocyclic ketone and its optical rotatory dispersion has been studied under isolated and solvated conditions to explore the role of ring size/morphology. The vibrationally resolved electronic circular dichroism (ECD) spectra of (R)-(+)-3-methylcyclopentanone in gas phase was evaluated by density functional theory. |
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